1-N,1-N,1-N',1-N',2-N,2-N-hexapropylundec-1-ene-1,1,2-triamine

C29H61N3 — CID 151970508

IUPAC1-N,1-N,1-N',1-N',2-N,2-N-hexapropylundec-1-ene-1,1,2-triamine
SMILESCCCCCCCCCC(=C(N(CCC)CCC)N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/C29H61N3/c1-8-15-16-17-18-19-20-21-28(30(22-9-2)23-10-3)29(31(24-11-4)25-12-5)32(26-13-6)27-14-7/h8-27H2,1-7H3
InChIKeyUAOMDGXNKNRYSR-UHFFFAOYSA-N
MW451.83 g/mol
LogP8.66
Rot. Bonds23

About 1-N,1-N,1-N',1-N',2-N,2-N-hexapropylundec-1-ene-1,1,2-triamine

1-N,1-N,1-N',1-N',2-N,2-N-hexapropylundec-1-ene-1,1,2-triamine (PubChem CID 151970508) has the molecular formula C29H61N3 and a molecular weight of 451.83 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N',2-N,2-N-hexapropylundec-1-ene-1,1,2-triamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N',2-N,2-N-hexapropylundec-1-ene-1,1,2-triamine
PubChem CID151970508
Molecular FormulaC29H61N3
Molecular Weight451.83 g/mol
Exact Mass451.49
IUPAC Name1-N,1-N,1-N',1-N',2-N,2-N-hexapropylundec-1-ene-1,1,2-triamine
SMILESCCCCCCCCCC(=C(N(CCC)CCC)N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/C29H61N3/c1-8-15-16-17-18-19-20-21-28(30(22-9-2)23-10-3)29(31(24-11-4)25-12-5)32(26-13-6)27-14-7/h8-27H2,1-7H3
InChIKeyUAOMDGXNKNRYSR-UHFFFAOYSA-N
XLogP8.66
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.83
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-N,1-N,1-N',1-N',2-N,2-N-hexapropylundec-1-ene-1,1,2-triamine with MolForge

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Related Compounds

1-decyl-3,4,5-trimethyl-2H-imidazole
CID 68896282
1-dodecyl-3,4,5-trimethyl-2H-imidazole
CID 68897565
1-hexadecyl-3,4,5-trimethyl-2H-imidazole
CID 68968016
1,4,5-trimethyl-3-tetradecyl-2H-imidazole
CID 91543512
1,4,5-trimethyl-3-octadecyl-2H-imidazole
CID 91551336
N'-ethyl-N-methyl-N-nonyl-N'-prop-1-en-2-ylmethanediamine
CID 132156713
1-N,1-N,1-N',1-N',2-N,2-N-hexamethyldodec-1-ene-1,1,2-triamine
CID 150701001
1-N,1-N,1-N',1-N',2-N,2-N-hexaethylundec-1-ene-1,1,2-triamine
CID 150751805
1-N,1-N',2-N-triethyl-1-N,1-N',2-N-trimethylundec-1-ene-1,1,2-triamine
CID 152132762
1-N,1-N',2-N-tributyl-1-N,1-N',2-N-tripropylundec-1-ene-1,1,2-triamine
CID 152381622
3-ethyl-1-methyl-4-octyl-2H-imidazole
CID 156280820
1-N,1-N,1-N',1-N',2-N,2-N-hexapropyldodec-1-ene-1,1,2-triamine
CID 157382628

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N',2-N,2-N-hexapropylundec-1-ene-1,1,2-triamine?
The IUPAC name of 1-N,1-N,1-N',1-N',2-N,2-N-hexapropylundec-1-ene-1,1,2-triamine (CID 151970508) is 1-N,1-N,1-N',1-N',2-N,2-N-hexapropylundec-1-ene-1,1,2-triamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N',2-N,2-N-hexapropylundec-1-ene-1,1,2-triamine?
The canonical SMILES for 1-N,1-N,1-N',1-N',2-N,2-N-hexapropylundec-1-ene-1,1,2-triamine is CCCCCCCCCC(=C(N(CCC)CCC)N(CCC)CCC)N(CCC)CCC.
What is the InChIKey of 1-N,1-N,1-N',1-N',2-N,2-N-hexapropylundec-1-ene-1,1,2-triamine?
The InChIKey is UAOMDGXNKNRYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H61N3/c1-8-15-16-17-18-19-20-21-28(30(22-9-2)23-10-3)29(31(24-11-4)25-12-5)32(26-13-6)27-14-7/h8-27H2,1-7H3.
What are the key properties of 1-N,1-N,1-N',1-N',2-N,2-N-hexapropylundec-1-ene-1,1,2-triamine?
1-N,1-N,1-N',1-N',2-N,2-N-hexapropylundec-1-ene-1,1,2-triamine has a molecular weight of 451.83 g/mol, XLogP of 8.66, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N',2-N,2-N-hexapropylundec-1-ene-1,1,2-triamine is sourced from PubChem (CID 151970508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).